(3-ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

C10H12F3N5O — CID 112670298

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCCc1nn(C)cc1C(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N5O/c1-3-6-5(4-18(2)16-6)7(14)8-15-9(19-17-8)10(11,12)13/h4,7H,3,14H2,1-2H3
InChIKeyZOJZDOOYIQUGFM-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.43
Rot. Bonds3

About (3-ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

(3-ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 112670298) has the molecular formula C10H12F3N5O and a molecular weight of 275.23 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID112670298
Molecular FormulaC10H12F3N5O
Molecular Weight275.23 g/mol
Exact Mass275.10
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCCc1nn(C)cc1C(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N5O/c1-3-6-5(4-18(2)16-6)7(14)8-15-9(19-17-8)10(11,12)13/h4,7H,3,14H2,1-2H3
InChIKeyZOJZDOOYIQUGFM-UHFFFAOYSA-N
XLogP1.43
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 112670298) is (3-ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is CCc1nn(C)cc1C(N)c1noc(C(F)(F)F)n1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is ZOJZDOOYIQUGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O/c1-3-6-5(4-18(2)16-6)7(14)8-15-9(19-17-8)10(11,12)13/h4,7H,3,14H2,1-2H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
(3-ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 275.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 112670298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).